Data quality metrics extracted from 9qas.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "f90b0e11f7aeaaa35474f2e10fa32756",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 73.180,
    "b": 77.600,
    "c": 82.461,
    "alpha": 88.469,
    "beta": 64.397,
    "gamma": 74.767
  },
  "wavelengths": [0.61991],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.50,2.20],
    "number_observations_unique": 79191,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 4493,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.129
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):